NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 329 G 3.8843 8.4545 109.7374 45.5773 0.0000 174.2477 *330 H 4.4140 8.5999 118.9027 53.5310 29.0418 173.3565 331 M 4.8888 9.1894 119.3548 53.0984 35.2476 175.9537 332 L 4.7380 8.6694 122.0900 53.9077 43.2432 176.8695 333 Q 4.6826 7.9790 116.0221 55.4821 30.5084 175.7218 334 N 4.8479 8.1867 116.1199 51.6362 36.9673 175.7540 335 N 5.1086 7.7582 110.4500 55.0529 39.9221 176.4237 336 T 4.3146 8.1302 109.5803 63.8357 69.2631 174.8962 337 D 4.5341 8.1554 120.4377 54.2364 40.1605 175.1959 338 Y 4.3161 7.6901 122.2497 55.4321 39.7889 174.3242 339 P 4.5000 0.0000 0.0000 60.9596 30.1013 175.0587 340 F 4.6305 8.1456 124.3652 58.1879 39.8211 175.0535 341 E 4.1279 9.4027 125.9664 56.0644 30.1686 176.7324 342 A 4.1988 8.9324 129.5630 55.2237 18.7073 178.2566 343 N 4.7533 7.9039 114.8544 51.4098 38.0340 171.9250 344 N 4.8409 8.0554 118.6959 51.0357 39.7074 173.7320 345 P 4.5979 0.0000 0.0000 65.7465 31.4824 177.7246 346 Y 3.7463 8.4256 116.6882 60.6790 37.4408 177.8688 347 M 4.0377 7.7643 118.5884 57.9670 32.0065 177.4310 348 Y 4.2753 7.6851 114.8776 58.6576 38.5907 175.6271 349 H 4.6171 7.2868 116.7347 55.0713 29.8532 175.4100 350 E 4.0561 8.8258 122.4802 59.0636 30.2808 176.9762 351 N 5.0484 7.7118 116.0295 50.4547 38.8866 172.5027 352 P 4.3762 0.0000 0.0000 65.5608 31.7291 178.3450 353 M 4.0201 7.9751 117.8205 58.5349 32.1852 177.3740 354 E 3.9282 8.2109 118.8637 59.5371 29.8076 178.5909 355 E 4.0439 8.1676 118.4776 59.2873 29.4385 179.5447 356 G 2.6603 8.0340 105.9883 47.5403 0.0000 175.5330 357 L 4.1620 7.9962 121.9443 57.6755 41.6596 179.9360 358 S 4.1424 8.2093 115.0650 61.9433 62.6903 176.7127 359 M 4.0922 8.4479 121.7586 58.2199 31.5294 178.8233 360 L 4.0647 8.4132 122.1375 58.4047 41.6105 180.3452 361 K 4.0556 7.8668 122.2590 59.0808 31.7495 180.1339 362 L 4.3595 7.7268 117.1691 55.3028 42.4147 176.5072 363 A 3.7001 7.9818 120.5080 54.2157 16.6508 177.0851 364 N 4.9200 8.0941 119.6190 53.5721 37.5604 175.5452 365 L 3.9740 8.0259 125.0746 57.5044 42.3225 178.4190 366 A 4.0206 7.9562 120.2616 55.1157 18.4235 179.2275 367 E 3.8125 8.0620 116.9617 59.2730 29.9355 178.2875 368 A 3.5027 8.1378 121.0862 55.2683 18.2751 179.4453 369 A 4.0938 8.4970 119.1453 55.3865 18.4513 179.7597 370 L 3.9116 7.7490 116.9450 57.9088 41.7640 179.7337 371 A 3.3752 6.9604 120.1099 54.8986 18.1024 179.7700 372 F 4.2848 7.5224 116.2562 60.5380 38.8327 177.6981 373 E 3.9022 8.4557 118.5156 59.2424 29.2998 179.0680 374 A 3.8200 7.8528 120.6968 55.2583 18.4577 179.7081 375 V 3.4312 7.4837 116.2849 66.5548 31.3383 178.1019 376 C 3.7284 7.6772 114.9787 62.3442 27.7504 175.8096 377 Q 3.5108 7.6733 119.5106 58.3097 28.2687 177.7905 378 A 4.2144 7.6871 120.3868 53.2967 20.5330 177.7286 379 A 4.7949 8.6220 118.9418 49.4645 18.9841 174.9270 380 P 4.6020 0.0000 0.0000 63.3364 31.8338 177.7901 381 E 4.2981 8.0898 116.9870 57.0900 30.5745 176.1700 382 R 4.1824 8.1443 120.6609 55.1754 29.3275 176.3080 383 E 4.1362 8.9726 125.2399 59.4425 29.5131 178.3772 384 E 3.9107 8.2128 116.6625 59.0398 29.5681 178.9934 385 A 3.7741 7.8271 121.5514 54.8309 18.4192 179.6472 386 W 4.1074 7.9421 117.0507 59.6851 29.1000 178.5458 387 R 3.8602 8.3146 118.8539 59.6375 29.5650 178.6596 388 S 3.7239 7.8099 114.8478 61.2792 62.6235 176.4835 389 L 4.0323 7.7079 123.1219 58.0901 41.9511 179.2099 390 G 3.6911 8.2514 105.6830 47.9014 0.0000 175.6518 391 L 4.0031 8.0504 121.8078 57.7400 41.6467 179.7165 392 T 3.8894 8.0189 115.7203 66.7184 68.3623 176.7537 393 Q 4.0081 8.3339 119.6924 58.9336 28.8348 178.6151 394 A 4.0065 7.9110 121.4309 55.3258 18.4418 179.5524 395 E 4.1565 8.2526 116.7247 58.7300 29.2156 177.8978 396 N 4.5532 8.0016 116.7228 53.2459 39.0718 174.4960 397 E 3.9507 8.2055 115.1257 56.8498 28.8349 174.0339 398 K 4.7865 7.8823 115.0442 53.3227 32.4496 176.6022 399 D 4.4878 8.1686 122.4992 57.0733 41.2681 178.4508 400 G 3.5538 7.9686 105.7357 47.9337 0.0000 175.7103 401 L 4.0387 7.8839 121.1594 56.9990 41.6360 179.1947 402 A 4.0722 8.0628 120.9459 55.4044 18.3149 179.7880 403 I 3.6590 8.0246 118.4634 64.4275 36.7090 178.7641 404 I 3.6650 7.7784 120.2521 64.3007 36.9082 178.3813 405 A 4.3153 8.3009 121.4734 55.4062 18.2422 179.7027 406 L 3.9931 8.4076 117.9460 58.0458 41.7459 179.5490 407 N 4.2519 8.3451 116.5111 56.4094 38.3738 177.2333 408 H 3.7294 7.4861 116.2954 58.5840 28.5378 177.6863 409 A 4.0307 7.5803 122.2962 55.0889 17.9561 179.6425 410 R 3.7875 7.9832 116.8031 59.6452 30.1854 178.2119 411 M 4.1299 7.4929 116.7036 58.6808 32.3802 178.0313 412 L 4.4282 7.8258 117.7880 56.4007 42.6335 176.9003 413 D 4.5147 8.4474 118.8741 52.5107 41.8993 173.4427 414 P 4.5813 0.0000 0.0000 63.5038 31.5734 177.3231 415 K 4.3322 8.1230 117.0682 55.9113 32.5466 175.9792 416 D 4.5150 8.1029 120.8952 53.6282 40.4389 176.6591 417 I 4.0199 8.2862 122.0903 63.4678 37.9325 177.7004 418 A 4.1222 7.9762 123.1068 54.9719 18.0621 179.7789 419 V 3.5297 7.8127 116.8830 66.5188 31.6235 178.0670 420 H 4.2885 8.1785 115.3092 58.7448 28.6613 177.4721 421 A 3.7891 8.4798 122.4518 55.1394 18.1425 179.6063 422 A 3.9484 8.0044 119.1974 55.1915 18.3561 179.8608 423 L 3.8627 8.2582 117.5338 57.7372 41.6344 179.4624 424 A 3.9924 7.9783 120.7557 55.1567 18.3267 179.8871 425 V 3.4742 7.6347 116.4400 66.4418 31.6807 178.5156 426 S 4.2747 8.2535 115.0615 61.9286 62.5524 176.5006 427 H 4.3131 8.6232 119.4271 58.8666 28.4124 177.9456 428 T 3.8678 8.1317 117.7878 66.8098 68.1073 176.2808 429 N 4.3286 7.9719 116.8448 56.3027 38.6974 176.5851 430 E 4.2276 8.1102 116.5808 56.0492 30.1376 176.1379 431 H 4.0607 7.7781 115.3725 57.0363 27.0508 176.6834 432 N 4.7633 8.2892 118.0422 51.7033 37.7463 174.9632 433 A 4.1242 8.1825 127.1068 55.0784 18.9590 178.8253 434 N 4.3100 8.1900 114.3186 56.4991 38.7226 177.4042 435 A 3.9303 7.9232 121.4413 54.8410 18.3973 179.3670 436 A 3.9606 8.1546 119.3768 55.3717 18.4356 179.9165 437 L 3.8322 8.0281 117.2463 57.8887 41.7114 179.5097 438 A 3.9663 8.0396 120.6904 55.3886 18.1809 179.9578 439 S 4.1525 8.1723 113.6021 61.6630 62.9302 176.8165 440 L 4.0402 8.1603 121.9570 57.7015 41.3322 179.5537 441 R 3.8415 8.2984 118.6581 59.4633 30.0734 178.5276 442 A 3.9164 8.1559 120.6161 54.5368 18.0612 179.1622 443 W 4.1320 8.3290 126.7067 60.9989 30.9895 177.6065 444 L 3.5773 8.1244 120.1815 57.9555 41.4444 178.6252 445 L 4.1066 7.9899 118.8866 56.8829 41.7687 179.1761 446 S 4.2872 7.8491 114.5016 59.2756 63.1884 173.9905 447 Q 4.2462 7.6205 122.4475 53.8556 29.2863 175.0177 448 P 4.2004 0.0000 0.0000 65.4620 31.5946 178.5700 449 Q 3.6661 7.7335 114.9156 58.1836 28.7429 176.2920 450 Y 4.8125 7.6397 114.6418 57.4552 39.5105 177.2215 451 E 3.9974 7.7724 120.0627 59.4955 29.6863 179.1517 452 Q 4.1703 8.0256 117.1226 57.4476 28.8740 183.3891 453 L 4.1445 7.4801 115.9042 54.5622 41.4137 177.1225 *474 F 4.1963 8.4052 124.9157 58.9888 39.1539 175.5161 475 F 4.3250 7.8972 131.5154 56.4707 38.4007 175.7003 476 F 3.8136 8.4556 130.5432 61.0215 39.3532 176.4836 477 A 3.9014 7.0303 121.2694 55.0723 19.0063 177.8879 478 A 4.6474 7.1658 116.7362 49.8890 21.3529 174.8380 479 P 4.1331 0.0000 0.0000 65.5370 31.7689 178.7082 480 N 4.4799 8.0233 116.2124 55.2240 38.5596 177.2326 481 E 3.9514 8.1577 119.8875 59.4893 29.5349 178.5058 482 Y 3.8953 8.3580 121.9525 61.3285 38.8984 178.9246 483 R 3.9657 8.0316 121.1242 61.4283 29.4602 180.1544 484 E 4.1182 8.5081 120.6272 59.2723 29.6276 178.7896 485 C 3.9833 8.0985 116.8528 62.6531 28.1755 175.9313 486 R 3.5477 7.7494 120.4646 59.5934 29.5014 178.7885 487 T 3.8632 7.8396 115.3187 66.5377 68.4135 176.5295 488 L 3.9108 7.8969 120.9704 58.0283 41.7269 179.7674 489 L 3.8177 7.7475 118.4996 58.0448 41.5648 179.3602 490 H 4.1491 8.1339 115.9024 58.7293 28.6055 177.6320 491 A 3.9760 8.3564 122.7434 55.2129 18.1250 179.5752 492 A 3.9019 8.1963 119.5369 55.1518 17.8684 179.6555 493 L 3.9045 7.9149 119.1271 57.9023 41.9151 178.8215 494 E 4.0993 8.0071 116.6983 59.0989 29.7350 178.4870 495 M 4.3373 7.7034 118.7581 56.6324 33.5726 176.0998 496 N 5.0430 8.2160 116.2470 50.9120 39.2429 171.8796 497 P 4.5106 0.0000 0.0000 63.1066 32.5603 176.5497 498 N 4.4792 8.5964 114.0440 54.7440 35.9958 174.2773 499 D 4.8041 7.4125 114.6819 52.7678 42.8591 175.5409 500 A 4.0360 8.6135 129.0953 55.5267 18.5047 179.2918 501 Q 3.9355 8.2742 115.8653 58.6079 28.9465 178.5702 502 L 4.0286 8.4515 120.4191 58.1079 41.6680 179.1982 503 H 4.1252 8.0668 115.6819 58.5891 28.6302 177.7259 504 A 3.9063 8.1974 122.8744 55.3577 18.1700 179.9130 505 S 3.7256 8.0769 113.9981 61.5012 62.6457 176.9714 506 L 3.6192 7.9318 121.9444 57.2350 41.2603 179.5643 507 G 3.6998 7.9396 105.8146 47.9045 0.0000 175.8067 508 V 3.5225 7.6043 121.1040 65.3151 31.3936 177.4760 509 L 3.6669 7.6797 120.1673 58.7012 41.8156 178.7824 510 Y 4.5798 7.9487 116.1541 60.6809 37.7059 178.0017 511 N 4.2725 8.2586 118.1048 56.0801 38.4008 176.8788 512 L 4.0561 7.7246 121.0875 57.7930 42.1870 178.2703 513 S 4.7310 7.4017 109.6348 57.3894 63.2343 173.5751 514 N 3.1483 7.4965 117.3036 54.6447 36.9688 175.9195 515 N 4.5552 7.5511 117.1480 52.3699 35.4900 175.0976 516 Y 4.2957 7.4207 121.4754 60.4326 38.6575 177.6035 517 D 4.3385 8.0380 120.0611 56.8493 39.8120 178.7875 518 S 4.0405 7.8599 116.6951 60.5255 62.6864 176.4385 519 A 4.1517 8.1571 123.4006 55.1613 18.2071 179.4099 520 A 3.9235 8.3391 119.3246 55.2513 18.4191 179.7177 521 A 3.8877 7.8717 118.6415 55.4120 18.5217 179.5997 522 N 4.2853 8.0377 114.5757 56.6552 38.6230 177.8014 523 L 3.9690 8.1652 120.3612 57.3547 41.6434 179.4964 524 R 3.7009 8.2733 119.3484 59.4271 30.1550 178.6620 525 R 3.9644 7.9976 117.5648 59.2863 30.0566 178.9105 526 A 3.9417 7.8631 120.3653 55.3180 18.1549 180.1692 527 V 3.2487 7.4871 109.8931 64.1393 31.4711 178.3066 528 E 4.0223 7.8153 117.8041 59.2785 29.3109 178.9158 529 L 4.3002 7.5730 117.6075 56.0925 43.5446 177.6115 530 R 4.6645 7.7387 117.1909 53.9809 30.4844 173.9468 531 P 4.6265 0.0000 0.0000 64.1717 32.1225 177.2882 532 D 4.8260 8.0776 117.4154 54.2133 41.4722 175.6240 533 D 4.7088 8.0894 118.1986 53.1363 41.3936 176.3671 534 A 4.3513 8.6926 130.4131 55.5293 18.5218 178.9311 535 Q 4.5878 8.2746 117.4352 58.5761 28.7654 178.8016 536 L 3.9563 8.0634 120.1201 57.5597 41.6690 179.4782 537 W 4.2447 7.8914 119.0046 59.8069 28.9312 178.0377 538 N 4.4842 8.6586 116.9916 56.7884 38.4257 176.9735 539 K 3.9998 8.6198 120.2654 59.3741 32.1472 179.0972 540 L 4.0079 8.4028 121.0707 57.9711 42.0061 179.0287 541 G 3.0995 8.6721 105.7614 47.7794 0.0000 175.2798 542 A 4.3543 8.3210 125.3759 54.4179 18.4178 179.8468 543 T 3.9005 7.9344 114.0429 66.8701 68.5942 176.9220 544 L 3.9109 7.9945 120.5806 57.5380 41.6264 179.3662 545 A 3.8715 8.2420 121.0756 55.4352 18.1970 179.5877 546 N 4.2789 8.3614 113.6364 55.3595 38.4266 176.6914 547 G 3.7542 6.9391 105.6130 43.8507 0.0000 173.0855 548 N 4.2093 7.8791 115.5070 54.6107 37.0597 175.2215 549 R 4.6893 8.0178 112.6352 54.1379 30.6394 175.3422 550 P 4.1997 0.0000 0.0000 65.7461 31.5624 178.4713 551 Q 3.8664 7.9210 118.8908 59.1301 28.9728 177.8968 552 E 3.8999 8.0852 118.9022 59.1694 29.4366 178.8162 553 A 3.6031 7.8353 120.8360 55.2301 18.2715 179.7462 554 L 3.9102 7.8377 117.2255 57.8271 41.6744 179.3872 555 D 4.2352 7.7282 118.5017 57.3085 40.7153 178.8077 556 A 3.9910 7.6080 121.0192 55.3115 18.2840 179.2621 557 Y 4.2437 7.7752 115.5861 61.3290 37.8398 178.4933 558 N 4.2922 8.3970 117.6200 56.5509 38.7300 177.6096 559 R 3.4886 7.4552 118.4686 58.9551 29.8142 178.9763 560 A 4.1251 7.8917 120.5934 55.2445 18.1645 179.7383 561 L 4.1896 8.2557 116.9361 57.9188 41.7776 179.0013 562 D 4.4943 8.1761 118.5570 57.2856 40.7460 178.7545 563 I 4.1959 7.4615 119.0849 62.9083 37.8770 176.0567 564 N 4.8719 8.4135 121.2564 51.0957 39.3328 172.5478 565 P 4.6054 0.0000 0.0000 63.5971 31.8218 177.4800 566 G 4.5198 7.9143 106.0820 44.8611 0.0000 174.6974 567 Y 4.5245 7.6375 123.3605 56.1633 37.5154 175.6639 568 V 3.6526 8.2275 125.7121 65.4903 31.8879 176.9626 569 R 4.3121 8.2492 119.9140 58.8588 29.8547 178.6428 570 V 3.1941 7.2494 117.2922 65.9571 31.5449 177.5057 571 M 3.8828 7.6995 117.9779 58.6187 31.8203 177.8084 572 Y 4.0500 8.2841 119.7300 61.1375 38.9175 178.1758 573 N 3.9810 8.2361 117.2837 56.2993 38.3749 177.3945 574 M 3.7060 7.9064 120.1947 58.0730 31.9746 178.2440 575 A 4.0407 7.7623 120.9544 55.4563 18.3943 179.7736 576 V 3.5344 7.5244 116.3152 66.3931 31.5422 178.4788 577 S 4.0800 8.0588 114.7797 61.6558 62.5813 176.2341 578 Y 4.2615 8.0014 119.7168 61.2377 37.6030 178.6677 579 S 4.2488 8.6143 114.3931 61.6067 62.3311 175.9408 580 N 4.4110 8.4145 118.3888 55.9672 38.2890 176.2240 581 M 4.3342 7.6412 117.4963 54.1677 32.3885 176.0496 582 S 2.7900 7.7223 114.0082 59.7664 61.1546 173.6561 583 Q 4.2296 7.6322 121.3278 54.9934 27.0405 174.9560 584 Y 4.3514 7.5878 122.3303 60.0377 38.4872 176.7041 585 D 4.3943 8.0807 120.0797 56.6616 39.4993 178.6509 586 L 3.5933 7.5901 120.0867 56.7405 41.4221 179.0812 587 A 3.9544 7.9525 120.5771 55.1565 18.4244 179.3637 588 A 3.6357 8.0856 119.4898 55.2188 18.3821 179.9980 589 K 3.7272 7.7222 116.7320 59.7356 32.0536 179.7085 590 Q 3.9447 7.8477 118.2418 58.7307 28.5717 178.5278 591 L 3.7186 7.8770 121.7135 57.8536 42.0175 179.2384 592 V 2.9801 7.2123 118.2195 65.5576 31.3723 177.7303 593 R 3.8609 7.7035 118.1982 59.5681 29.7803 178.2069 594 A 3.9731 8.0482 120.3694 55.1845 18.5005 179.6400 595 I 3.4692 7.6189 118.1899 64.5932 37.1870 177.7446 596 Y 4.2393 7.8711 120.2565 61.4215 38.6420 178.4480 597 M 4.0067 8.3597 119.4104 58.1976 31.8062 178.5052 598 Q 4.4147 8.0845 120.6921 58.5844 29.3743 178.1123 599 V 4.0197 7.5456 110.1184 61.1478 32.1411 176.1694 600 G 3.7028 7.7023 106.6815 47.1940 0.0000 177.5279 601 G 2.9367 8.0322 112.9841 46.0120 0.0000 177.5004 602 T 4.2149 8.9087 124.4254 64.2028 69.4643 172.7820 603 T 4.2907 8.0192 126.1496 62.5004 74.6053 175.9572 *609 S 4.2563 9.0177 113.9232 58.4071 63.2475 175.7621 610 R 4.1219 7.7224 122.8890 54.2648 30.0210 178.9340 611 E 4.0691 8.1023 113.5283 57.3927 29.0446 178.8188 612 A 4.0379 7.8041 119.0071 55.4554 18.5982 179.5425 613 T 3.8461 7.9344 111.0026 65.4408 67.5007 176.3362 614 R 4.1975 8.1132 119.8630 59.3137 30.0985 179.0126 615 S 4.3186 8.2041 113.7994 61.5871 63.0215 176.5033 616 M 4.3230 7.9310 121.9133 58.1467 31.6824 178.7044 617 W 4.3270 8.6517 119.5477 59.7139 29.1819 178.1474 618 D 4.4305 8.3480 118.1987 57.1328 40.7660 177.9113 619 F 4.4191 8.7791 121.7004 61.5473 39.3579 176.8330 620 F 4.0985 8.6615 120.5895 61.2036 39.0082 176.9523 621 R 3.6164 8.1026 118.3345 59.6775 29.8805 178.3541 622 M 3.9962 8.0244 118.4018 58.2814 31.9017 178.7817 623 L 3.6047 7.6026 118.8762 57.7722 41.8225 179.5844 624 L 3.9167 7.7193 118.9224 57.5385 41.3750 179.2209 625 N 4.2349 8.2093 117.3906 56.7186 38.7760 177.4406 626 V 3.5661 7.4148 119.2879 64.4937 31.3561 177.0938 627 M 4.3273 7.5469 115.3252 54.2430 31.8020 175.3907 628 N 4.1629 8.1895 116.3602 55.7927 38.0923 175.5671 629 R 4.6109 7.7883 116.3630 53.2263 30.7014 175.0409 630 P 4.3705 0.0000 0.0000 65.2327 31.5398 178.3236 631 D 4.3609 8.0011 118.3087 56.4978 39.7463 178.1329 632 L 4.1758 7.8404 120.0094 57.1616 41.8098 179.0930 633 V 3.5032 7.9537 120.8130 66.9446 31.5219 178.5232 634 E 4.3338 8.1447 117.4322 61.3645 29.0827 180.8560 635 L 4.4189 7.9529 118.4173 57.5341 41.7812 179.4438 636 T 4.0190 7.8493 109.9897 64.6564 68.4161 176.2217 637 Y 4.1128 7.0562 118.1739 60.9023 37.1596 178.0004 638 A 4.0410 7.8564 119.7322 52.4372 18.5642 177.3964 639 Q 2.0000 6.9322 114.8759 56.3740 26.7994 173.3345 640 N 5.1349 7.1340 111.0438 51.5888 40.6681 176.5677 641 V 4.2814 8.8987 122.6149 65.9326 31.6562 177.4388 642 E 3.9627 8.5248 118.8926 59.2379 29.3132 176.9020 643 P 4.1130 0.0000 0.0000 65.6575 31.1888 178.3898 644 F 4.5834 8.1757 115.5041 59.9189 39.1496 177.6598 645 A 4.0784 8.4739 120.7615 55.1707 18.1930 179.8600 646 K 4.4266 8.3761 118.4987 59.2928 32.0265 178.9980 647 E 3.7703 8.1406 118.5702 58.9554 29.3936 178.0736 648 F 4.7757 8.2007 114.7238 56.7628 39.3706 176.7219 649 G 3.9792 7.9810 106.4195 45.7579 0.0000 174.9670 650 L 4.2361 8.0849 120.2663 56.2218 42.4420 177.0488 651 Q 4.4975 7.5919 118.3324 55.3903 33.8022 175.8033 652 S 3.3317 10.3560 118.9393 58.8783 62.7612 171.8625 653 M 3.3887 9.2893 127.1617 56.5838 32.6470 174.8709 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 329 G 8.45 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *330 H 8.60 4.41 0.00 3.03 2.86 0.00 7.15 0.00 0.00 0.00 0.00 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 331 M 9.19 4.89 0.00 1.97 1.82 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.09 0.00 332 L 8.67 4.74 0.00 1.61 1.70 0.90 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 333 Q 7.98 4.68 0.00 2.03 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 7.69 0.00 0.00 0.00 0.00 0.00 2.28 2.28 0.00 334 N 8.19 4.85 0.00 2.89 2.93 0.00 0.00 5.98 8.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 335 N 7.76 5.11 0.00 3.71 3.53 0.00 0.00 5.87 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 336 T 8.13 4.31 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 337 D 8.16 4.53 0.00 2.82 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 338 Y 7.69 4.32 0.00 3.01 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 339 P 0.00 4.50 0.00 2.06 1.92 0.00 2.59 0.00 0.00 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.71 0.00 340 F 8.15 4.63 0.00 3.23 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 341 E 9.40 4.13 0.00 2.02 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.38 0.00 342 A 8.93 4.20 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 343 N 7.90 4.75 0.00 2.75 2.82 0.00 0.00 6.73 8.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 344 N 8.06 4.84 0.00 2.79 2.75 0.00 0.00 6.82 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 345 P 0.00 4.60 0.00 2.10 2.24 0.00 3.84 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.99 0.00 346 Y 8.43 3.75 0.00 3.12 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 347 M 7.76 4.04 0.00 1.66 1.96 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.64 0.00 348 Y 7.69 4.28 0.00 3.12 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 349 H 7.29 4.62 0.00 3.35 3.36 0.00 5.67 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 350 E 8.83 4.06 0.00 1.93 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.30 0.00 351 N 7.71 5.05 0.00 2.72 2.65 0.00 0.00 6.86 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 352 P 0.00 4.38 0.00 2.43 2.38 0.00 3.83 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.02 0.00 353 M 7.98 4.02 0.00 2.30 2.13 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.70 0.00 354 E 8.21 3.93 0.00 2.12 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.38 0.00 355 E 8.17 4.04 0.00 2.25 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.54 0.00 356 G 8.03 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 357 L 8.00 4.16 0.00 1.93 1.80 0.98 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 358 S 8.21 4.14 0.00 4.03 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 359 M 8.45 4.09 0.00 2.06 2.04 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.84 0.00 360 L 8.41 4.06 0.00 1.96 1.76 1.05 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 361 K 7.87 4.06 0.00 1.89 1.73 0.00 1.80 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.39 1.31 7.81 362 L 7.73 4.36 0.00 1.83 1.84 0.93 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 363 A 7.98 3.70 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 364 N 8.09 4.92 0.00 2.83 2.77 0.00 0.00 7.07 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 365 L 8.03 3.97 0.00 1.70 1.72 1.04 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 366 A 7.96 4.02 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 367 E 8.06 3.81 0.00 2.10 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.55 0.00 368 A 8.14 3.50 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 369 A 8.50 4.09 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 370 L 7.75 3.91 0.00 1.83 1.78 1.08 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 371 A 6.96 3.38 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 372 F 7.52 4.28 0.00 2.99 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 373 E 8.46 3.90 0.00 2.26 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.65 0.00 374 A 7.85 3.82 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 375 V 7.48 3.43 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.96 0.00 0.00 376 C 7.68 3.73 0.00 2.56 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 377 Q 7.67 3.51 0.00 1.77 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.93 0.00 0.00 0.00 0.00 0.00 1.16 1.27 0.00 378 A 7.69 4.21 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 379 A 8.62 4.79 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 380 P 0.00 4.60 0.00 2.67 2.57 0.00 3.87 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.10 0.00 381 E 8.09 4.30 0.00 2.19 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.30 0.00 382 R 8.14 4.18 0.00 1.94 2.06 0.00 3.13 0.00 0.00 3.05 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 383 E 8.97 4.14 0.00 2.05 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.47 0.00 384 E 8.21 3.91 0.00 2.16 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.31 0.00 385 A 7.83 3.77 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 386 W 7.94 4.11 0.00 3.51 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 387 R 8.31 3.86 0.00 1.86 2.00 0.00 3.08 0.00 0.00 3.42 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.65 0.00 388 S 7.81 3.72 0.00 2.72 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 389 L 7.71 4.03 0.00 1.72 1.80 1.01 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 390 G 8.25 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 391 L 8.05 4.00 0.00 1.61 1.67 0.87 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 392 T 8.02 3.89 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 393 Q 8.33 4.01 0.00 2.26 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.74 2.69 0.00 394 A 7.91 4.01 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 395 E 8.25 4.16 0.00 2.16 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.31 0.00 396 N 8.00 4.55 0.00 2.95 2.77 0.00 0.00 6.75 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 397 E 8.21 3.95 0.00 2.25 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.94 0.00 398 K 7.88 4.79 0.00 1.92 1.67 0.00 1.92 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.32 1.58 7.81 399 D 8.17 4.49 0.00 2.65 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 400 G 7.97 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 401 L 7.88 4.04 0.00 1.74 1.85 0.87 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 402 A 8.06 4.07 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 403 I 8.02 3.66 1.97 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.61 0.88 0.00 0.00 404 I 7.78 3.67 2.15 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.29 1.15 0.00 0.00 405 A 8.30 4.32 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 406 L 8.41 3.99 0.00 1.69 1.72 0.92 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 407 N 8.35 4.25 0.00 2.80 2.71 0.00 0.00 6.99 7.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 408 H 7.49 3.73 0.00 2.03 1.79 0.00 5.62 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 409 A 7.58 4.03 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 410 R 7.98 3.79 0.00 1.81 2.17 0.00 3.29 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 411 M 7.49 4.13 0.00 2.08 1.97 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.56 0.00 412 L 7.83 4.43 0.00 1.70 1.75 1.20 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 413 D 8.45 4.51 0.00 2.59 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 414 P 0.00 4.58 0.00 2.10 2.10 0.00 3.70 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.20 0.00 415 K 8.12 4.33 0.00 1.85 1.80 0.00 1.69 0.00 0.00 1.63 0.00 0.00 2.90 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.38 1.47 7.81 416 D 8.10 4.51 0.00 2.68 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 417 I 8.29 4.02 1.67 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.83 0.89 0.00 0.00 418 A 7.98 4.12 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 419 V 7.81 3.53 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.97 0.00 0.00 420 H 8.18 4.29 0.00 3.58 3.66 0.00 5.68 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 421 A 8.48 3.79 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 422 A 8.00 3.95 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 423 L 8.26 3.86 0.00 1.91 1.81 1.01 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 424 A 7.98 3.99 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 1.53 1.93 0.00 3.29 0.00 0.00 3.35 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.54 0.00 487 T 7.84 3.86 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 488 L 7.90 3.91 0.00 1.74 1.64 0.87 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 489 L 7.75 3.82 0.00 1.42 1.47 0.62 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 490 H 8.13 4.15 0.00 3.41 3.32 0.00 5.82 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 491 A 8.36 3.98 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 492 A 8.20 3.90 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 493 L 7.91 3.90 0.00 1.92 1.75 0.79 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 494 E 8.01 4.10 0.00 2.21 2.08 0.00 0.00 0.00 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0.00 2.12 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.34 0.00 553 A 7.84 3.60 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 554 L 7.84 3.91 0.00 1.75 1.61 0.47 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 555 D 7.73 4.24 0.00 2.79 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 556 A 7.61 3.99 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 557 Y 7.78 4.24 0.00 3.01 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 558 N 8.40 4.29 0.00 2.75 2.78 0.00 0.00 7.06 8.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 559 R 7.46 3.49 0.00 0.67 0.66 0.00 2.90 0.00 0.00 2.78 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.50 0.00 560 A 7.89 4.13 1.53 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 1.03 0.00 0.00 1.09 0.00 0.00 569 R 8.25 4.31 0.00 2.05 2.19 0.00 3.44 0.00 0.00 3.27 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 570 V 7.25 3.19 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 -0.17 0.00 0.00 571 M 7.70 3.88 0.00 2.11 2.26 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.55 0.00 572 Y 8.28 4.05 0.00 2.99 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 573 N 8.24 3.98 0.00 2.19 1.80 0.00 0.00 7.12 7.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 574 M 7.91 3.71 0.00 1.93 2.12 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.49 0.00 575 A 7.76 4.04 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 576 V 7.52 3.53 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 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0.00 2.92 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 586 L 7.59 3.59 0.00 0.91 0.13 0.59 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 587 A 7.95 3.95 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 588 A 8.09 3.64 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 589 K 7.72 3.73 0.00 1.67 1.79 0.00 1.63 0.00 0.00 1.66 0.00 0.00 3.36 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.50 1.51 7.81 590 Q 7.85 3.94 0.00 2.09 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.81 0.00 0.00 0.00 0.00 0.00 2.44 2.71 0.00 591 L 7.88 3.72 0.00 1.55 1.04 0.97 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 592 V 7.21 2.98 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.52 0.00 0.00 593 R 7.70 3.86 0.00 2.01 2.07 0.00 3.16 0.00 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1.90 1.83 0.00 615 S 8.20 4.32 0.00 4.15 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 616 M 7.93 4.32 0.00 2.06 2.23 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.71 0.00 617 W 8.65 4.33 0.00 3.63 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 618 D 8.35 4.43 0.00 3.11 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 619 F 8.78 4.42 0.00 3.12 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 620 F 8.66 4.10 0.00 2.80 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 621 R 8.10 3.62 0.00 1.97 2.05 0.00 2.77 0.00 0.00 2.62 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.42 0.00 622 M 8.02 4.00 0.00 2.11 2.33 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 3.00 0.00 623 L 7.60 3.60 0.00 1.70 1.54 0.57 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 624 L 7.72 3.92 0.00 1.57 1.60 0.14 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 625 N 8.21 4.23 0.00 2.77 2.89 0.00 0.00 6.92 7.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 626 V 7.41 3.57 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 0.77 0.00 0.00 627 M 7.55 4.33 0.00 2.29 2.27 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.69 0.00 628 N 8.19 4.16 0.00 2.84 2.91 0.00 0.00 6.87 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 629 R 7.79 4.61 0.00 1.98 1.82 0.00 3.34 0.00 0.00 3.22 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.71 0.00 630 P 0.00 4.37 0.00 2.27 2.31 0.00 3.70 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.02 0.00 631 D 8.00 4.36 0.00 2.83 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 632 L 7.84 4.18 0.00 1.93 1.96 0.96 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 633 V 7.95 3.50 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.90 0.00 0.00 634 E 8.14 4.33 0.00 2.05 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.24 0.00 635 L 7.95 4.42 0.00 2.08 1.74 0.96 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 636 T 7.85 4.02 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 637 Y 7.06 4.11 0.00 3.09 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 638 A 7.86 4.04 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 639 Q 6.93 2.00 0.00 1.86 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.55 0.00 0.00 0.00 0.00 0.00 1.16 2.03 0.00 640 N 7.13 5.13 0.00 2.74 2.85 0.00 0.00 6.77 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 641 V 8.90 4.28 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 1.20 0.00 0.00 642 E 8.52 3.96 0.00 2.15 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.61 0.00 643 P 0.00 4.11 0.00 1.35 1.77 0.00 3.88 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.08 0.00 644 F 8.18 4.58 0.00 3.52 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 645 A 8.47 4.08 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 646 K 8.38 4.43 0.00 1.89 1.82 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.63 1.40 7.81 647 E 8.14 3.77 0.00 1.77 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.47 0.00 648 F 8.20 4.78 0.00 3.34 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 649 G 7.98 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 650 L 8.08 4.24 0.00 1.71 1.68 0.93 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 651 Q 7.59 4.50 0.00 1.93 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.04 5.77 0.00 0.00 0.00 0.00 0.00 2.30 2.34 0.00 652 S 10.36 3.33 0.00 3.96 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 653 M 9.29 3.39 0.00 2.13 2.09 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.55 0.00 * Residues marked with a * may have inaccurate shift predictions.